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Home Other Building Blocks Isovaleryl chloride

Isovaleryl chloride

CAS No.:
108-12-3
Catalog Number:
AG00352F
Molecular Formula:
C5H9ClO
Molecular Weight:
120.5774
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Product Description
Catalog Number:
AG00352F
Chemical Name:
Isovaleryl chloride
CAS Number:
108-12-3
Molecular Formula:
C5H9ClO
Molecular Weight:
120.5774
MDL Number:
MFCD00000738
IUPAC Name:
3-methylbutanoyl chloride
InChI:
InChI=1S/C5H9ClO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3
InChI Key:
ISULZYQDGYXDFW-UHFFFAOYSA-N
SMILES:
CC(CC(=O)Cl)C
EC Number:
203-552-2
UNII:
J2ML32M57V
Properties
Complexity:
68.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.034g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.576g/mol
Monoisotopic Mass:
120.034g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Novel and facile synthesis of furanodictines A and B based on transformation of 2-acetamido-2-deoxy-D-glucose into 3,6-anhydro hexofuranoses. Carbohydrate research 20100126
(R)-(-)-N-isovalerylcamphorsultam. Acta crystallographica. Section E, Structure reports online 20091001
5-Fluoro-1-(3-metylbutano-yl)pyrimidine-2,4(1H,3H)-dione. Acta crystallographica. Section E, Structure reports online 20080401
Properties